3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide

C20H18ClN5O4 — CID 154833960

IUPAC3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide
SMILESO=C1NC(=O)c2cc(NC(=O)N3CCCC(C(=O)Nc4ccc(Cl)cn4)C3)ccc21
InChIInChI=1S/C20H18ClN5O4/c21-12-3-6-16(22-9-12)24-17(27)11-2-1-7-26(10-11)20(30)23-13-4-5-14-15(8-13)19(29)25-18(14)28/h3-6,8-9,11H,1-2,7,10H2,(H,23,30)(H,22,24,27)(H,25,28,29)
InChIKeyDZZVVUKOBSRNAM-UHFFFAOYSA-N
MW427.85 g/mol
LogP2.50
Rot. Bonds3

About 3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide

3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide (PubChem CID 154833960) has the molecular formula C20H18ClN5O4 and a molecular weight of 427.85 g/mol. Its IUPAC name is 3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide
PubChem CID154833960
Molecular FormulaC20H18ClN5O4
Molecular Weight427.85 g/mol
Exact Mass427.10
IUPAC Name3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide
SMILESO=C1NC(=O)c2cc(NC(=O)N3CCCC(C(=O)Nc4ccc(Cl)cn4)C3)ccc21
InChIInChI=1S/C20H18ClN5O4/c21-12-3-6-16(22-9-12)24-17(27)11-2-1-7-26(10-11)20(30)23-13-4-5-14-15(8-13)19(29)25-18(14)28/h3-6,8-9,11H,1-2,7,10H2,(H,23,30)(H,22,24,27)(H,25,28,29)
InChIKeyDZZVVUKOBSRNAM-UHFFFAOYSA-N
XLogP2.50
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide
CID 17172079
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133359806
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856461
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119856460
(3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide
CID 99783486
N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide
CID 55993829
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
3-N-(5-chloro-2-pyridinyl)-1-N-(3-methyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 155947673
N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide
CID 55924407

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide (CID 154833960) is 3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide is O=C1NC(=O)c2cc(NC(=O)N3CCCC(C(=O)Nc4ccc(Cl)cn4)C3)ccc21.
What is the InChIKey of 3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide?
The InChIKey is DZZVVUKOBSRNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O4/c21-12-3-6-16(22-9-12)24-17(27)11-2-1-7-26(10-11)20(30)23-13-4-5-14-15(8-13)19(29)25-18(14)28/h3-6,8-9,11H,1-2,7,10H2,(H,23,30)(H,22,24,27)(H,25,28,29).
What are the key properties of 3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide?
3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide has a molecular weight of 427.85 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 154833960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).